methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate

C15H10ClF2N3O2 — CID 90450978

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3[nH]ccc3cc2F)c(F)c(N)c1Cl
InChIInChI=1S/C15H10ClF2N3O2/c1-23-15(22)14-10(16)12(19)11(18)13(21-14)7-5-9-6(2-3-20-9)4-8(7)17/h2-5,20H,1H3,(H2,19,21)
InChIKeyLMUZDKWPJWXLEE-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.53
Rot. Bonds2

About methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 90450978) has the molecular formula C15H10ClF2N3O2 and a molecular weight of 337.71 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
PubChem CID90450978
Molecular FormulaC15H10ClF2N3O2
Molecular Weight337.71 g/mol
Exact Mass337.04
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3[nH]ccc3cc2F)c(F)c(N)c1Cl
InChIInChI=1S/C15H10ClF2N3O2/c1-23-15(22)14-10(16)12(19)11(18)13(21-14)7-5-9-6(2-3-20-9)4-8(7)17/h2-5,20H,1H3,(H2,19,21)
InChIKeyLMUZDKWPJWXLEE-UHFFFAOYSA-N
XLogP3.53
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (CID 90450978) is methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cc3[nH]ccc3cc2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The InChIKey is LMUZDKWPJWXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2/c1-23-15(22)14-10(16)12(19)11(18)13(21-14)7-5-9-6(2-3-20-9)4-8(7)17/h2-5,20H,1H3,(H2,19,21).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate has a molecular weight of 337.71 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-(5-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90450978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).